ACCELERATING CONVERGENCE OF MOLECULAR DYNAMICS-BASED STRUCTURAL RELAXATION
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Publication:3025087
DOI10.1142/S0129183105007042zbMath1112.81302OpenAlexW2093117606MaRDI QIDQ3025087
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Publication date: 4 July 2005
Published in: International Journal of Modern Physics C (Search for Journal in Brave)
Full work available at URL: https://doi.org/10.1142/s0129183105007042
spectral estimationStructural optimizationLanczos algorithmsmolecular dynamics relaxationtime step adaptation
Cites Work
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- An example of numerical nonconvergence of a variable-metric method
- On the limited memory BFGS method for large scale optimization
- Function minimization by conjugate gradients
- The Convergence of a Class of Double-rank Minimization Algorithms
- A new approach to variable metric algorithms
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